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137058-17-4 | Cyclohexanecarboxylic acid, 4-methoxy-, methyl ester
CAS No: 137058-17-4 Catalog No: AG0012SE MDL No:MFCD27920304
Product Description
Catalog Number:
AG0012SE
Chemical Name:
Cyclohexanecarboxylic acid, 4-methoxy-, methyl ester
CAS Number:
137058-17-4
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
MDL Number:
MFCD27920304
IUPAC Name:
methyl 4-methoxycyclohexane-1-carboxylate
InChI:
InChI=1S/C9H16O3/c1-11-8-5-3-7(4-6-8)9(10)12-2/h7-8H,3-6H2,1-2H3
InChI Key:
GPABZOTWBDPXNZ-UHFFFAOYSA-N
SMILES:
COC1CCC(CC1)C(=O)OC
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.11g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.224g/mol
Monoisotopic Mass:
172.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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